2-[(4-bromanyl-2-methyl-phenyl)amino]-3,4-bis(fluoranyl)-N-(3-phenylprop-2-ynoxy)benzamide

Systemtic Name: 2-[(4-bromanyl-2-methyl-phenyl)amino]-3,4-bis(fluoranyl)-N-(3-phenylprop-2-ynoxy)benzamide Openeye Name: 2-(4-bromo-2-methyl-anilino)-3,4-difluoro-N-(3-phenylprop-2-ynoxy)benzamide CAS Name: 2-(4-bromo-2-methylanilino)-3,4-difluoro-N-(3-phenylprop-2-ynoxy)benzamide IUPAC Name: 2-(4-bromo-2-methylanilino)-3,4-difluoro-N-(3-phenylprop-2-ynoxy)benzamide Traditional Name: 2-(4-bromo-2-methyl-anilino)-3,4-difluoro-N-(3-phenylprop-2-ynoxy)benzamide Formula: C23H17BrF2N2O2 MolecularWeight: 471.294086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=C(C=CC(=C2F)F)C(=O)NOCC#CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=C(C=CC(=C2F)F)C(=O)NOCC#CC3=CC=CC=C3

InChI

InChI=1S/C23H17BrF2N2O2/c1-15-14-17(24)9-12-20(15)27-22-18(10-11-19(25)21(22)26)23(29)28-30-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,27H,13H2,1H3,(H,28,29)